azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C24H25N5O3/c30-23(28-11-3-1-2-4-12-28)18-14-26-29(22(18)16-5-6-16)24-25-10-9-19(27-24)17-7-8-20-21(13-17)32-15-31-20/h7-10,13-14,16H,1-6,11-12,15H2